N-[4-[1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(3,5-dimethylanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(3,5-dimethylanilino)-2-keto-1-methyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C24H23N3O4S/c1-15-11-16(2)13-20(12-15)26-23(28)17(3)32-22-9-7-19(8-10-22)25-24(29)18-5-4-6-21(14-18)27(30)31/h4-14,17H,1-3H3,(H,25,29)(H,26,28)